chembl-database - Query ChEMBL bioactive molecules database
Query ChEMBL's bioactive molecules and drug discovery data programmatically
Tags
Updated: 2026-06-30Capabilities
Typical Inputs
Typical Outputs
What this skill does
- get molecule by ID
- search molecule by name
- filter molecule by properties
- get target by ID
- search target by type
- query bioactivity data
- get compound activities
- perform similarity search
- perform substructure search
- get drug information
- get mechanism of action
- get drug indications
Inputs
- ChEMBL ID
- Molecule name
- Target name
- Target ID
- SMILES string
- Compound properties
- Bioactivity filters
- Drug ID
Outputs
- Molecule data
- Target information
- Bioactivity measurements
- Drug information
- Mechanism data
- Search results
Requirements
- Python environment
- ChEMBL Python client
- Internet connection